USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 THR OG1 : rot 159:sc= 0.0232 USER MOD Set 1.2: A 67 THR OG1 : rot -59:sc= 1.09 USER MOD Set 1.3: A 76 ASN : amide:sc= 0.846 K(o=2,f=-3.8!) USER MOD Single : A 28 CYS SG : rot 24:sc= 0.542 USER MOD Single : A 34 HIS : no HD1:sc= -3.22 K(o=-3.2,f=-4!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -170:sc= -0.733 USER MOD Single : A 48 LYS NZ :NH3+ -149:sc= -0.145 (180deg=-0.756) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.398 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 167:sc= -0.449 (180deg=-0.766) USER MOD Single : A 69 MET CE :methyl -114:sc= -0.0538 (180deg=-0.436) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.988 F(o=-2.2!,f=-0.99) USER MOD Single : A 72 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.4!) USER MOD Single : A 73 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00508) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N CYS A 28 11.199 3.637 -0.160 1.00 0.00 N ATOM 42 CA CYS A 28 12.563 3.539 0.340 1.00 0.00 C ATOM 43 C CYS A 28 12.563 3.419 1.859 1.00 0.00 C ATOM 44 O CYS A 28 11.771 4.064 2.544 1.00 0.00 O ATOM 45 CB CYS A 28 13.359 4.781 -0.072 1.00 0.00 C ATOM 46 SG CYS A 28 12.659 6.241 0.737 1.00 0.00 S ATOM 0 HA CYS A 28 13.027 2.650 -0.088 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.406 4.664 0.207 1.00 0.00 H new ATOM 0 HB3 CYS A 28 13.329 4.903 -1.155 1.00 0.00 H new ATOM 0 HG CYS A 28 12.034 5.880 1.818 1.00 0.00 H new ATOM 52 N GLY A 29 13.447 2.576 2.377 1.00 0.00 N ATOM 53 CA GLY A 29 13.535 2.364 3.817 1.00 0.00 C ATOM 54 C GLY A 29 14.813 1.617 4.181 1.00 0.00 C ATOM 55 O GLY A 29 15.750 1.551 3.385 1.00 0.00 O ATOM 0 H GLY A 29 14.110 2.031 1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.511 3.324 4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.668 1.798 4.159 1.00 0.00 H new ATOM 59 N ARG A 30 14.847 1.059 5.389 1.00 0.00 N ATOM 60 CA ARG A 30 16.023 0.325 5.846 1.00 0.00 C ATOM 61 C ARG A 30 15.669 -1.122 6.158 1.00 0.00 C ATOM 62 O ARG A 30 14.557 -1.418 6.594 1.00 0.00 O ATOM 63 CB ARG A 30 16.608 0.979 7.099 1.00 0.00 C ATOM 64 CG ARG A 30 17.742 1.928 6.704 1.00 0.00 C ATOM 65 CD ARG A 30 17.163 3.149 5.986 1.00 0.00 C ATOM 66 NE ARG A 30 18.166 4.209 5.903 1.00 0.00 N ATOM 67 CZ ARG A 30 17.916 5.364 5.281 1.00 0.00 C ATOM 68 NH1 ARG A 30 16.757 5.585 4.717 1.00 0.00 N ATOM 69 NH2 ARG A 30 18.840 6.286 5.239 1.00 0.00 N ATOM 0 H ARG A 30 14.082 1.100 6.062 1.00 0.00 H new ATOM 0 HA ARG A 30 16.762 0.348 5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 30 15.831 1.527 7.631 1.00 0.00 H new ATOM 0 HB3 ARG A 30 16.982 0.214 7.780 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.292 2.242 7.591 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.451 1.414 6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 30 16.835 2.869 4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 30 16.284 3.511 6.520 1.00 0.00 H new ATOM 0 HE ARG A 30 19.080 4.063 6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 30 16.030 4.870 4.749 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.580 6.472 4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 30 19.745 6.121 5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 30 18.656 7.171 4.766 1.00 0.00 H new ATOM 83 N ALA A 31 16.623 -2.019 5.932 1.00 0.00 N ATOM 84 CA ALA A 31 16.395 -3.430 6.195 1.00 0.00 C ATOM 85 C ALA A 31 17.579 -4.041 6.936 1.00 0.00 C ATOM 86 O ALA A 31 18.702 -3.556 6.841 1.00 0.00 O ATOM 87 CB ALA A 31 16.155 -4.176 4.883 1.00 0.00 C ATOM 0 H ALA A 31 17.550 -1.795 5.571 1.00 0.00 H new ATOM 0 HA ALA A 31 15.511 -3.523 6.825 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.985 -5.232 5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.281 -3.760 4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.028 -4.069 4.239 1.00 0.00 H new ATOM 93 N ARG A 32 17.312 -5.112 7.676 1.00 0.00 N ATOM 94 CA ARG A 32 18.354 -5.785 8.441 1.00 0.00 C ATOM 95 C ARG A 32 18.321 -7.287 8.192 1.00 0.00 C ATOM 96 O ARG A 32 17.267 -7.863 7.921 1.00 0.00 O ATOM 97 CB ARG A 32 18.155 -5.514 9.930 1.00 0.00 C ATOM 98 CG ARG A 32 16.775 -6.005 10.361 1.00 0.00 C ATOM 99 CD ARG A 32 16.586 -5.725 11.853 1.00 0.00 C ATOM 100 NE ARG A 32 17.454 -6.590 12.649 1.00 0.00 N ATOM 101 CZ ARG A 32 17.564 -6.449 13.973 1.00 0.00 C ATOM 102 NH1 ARG A 32 16.893 -5.519 14.605 1.00 0.00 N ATOM 103 NH2 ARG A 32 18.348 -7.245 14.647 1.00 0.00 N ATOM 0 H ARG A 32 16.386 -5.531 7.762 1.00 0.00 H new ATOM 0 HA ARG A 32 19.321 -5.398 8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 32 18.929 -6.019 10.508 1.00 0.00 H new ATOM 0 HB3 ARG A 32 18.252 -4.447 10.132 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.000 -5.502 9.783 1.00 0.00 H new ATOM 0 HG3 ARG A 32 16.677 -7.073 10.164 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.811 -4.680 12.064 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.545 -5.889 12.131 1.00 0.00 H new ATOM 0 HE ARG A 32 17.990 -7.321 12.181 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.278 -4.892 14.086 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.985 -5.421 15.616 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.875 -7.972 14.163 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.434 -7.140 15.658 1.00 0.00 H new ATOM 117 N VAL A 33 19.490 -7.911 8.264 1.00 0.00 N ATOM 118 CA VAL A 33 19.599 -9.344 8.026 1.00 0.00 C ATOM 119 C VAL A 33 19.333 -10.139 9.300 1.00 0.00 C ATOM 120 O VAL A 33 19.942 -9.887 10.340 1.00 0.00 O ATOM 121 CB VAL A 33 21.000 -9.672 7.519 1.00 0.00 C ATOM 122 CG1 VAL A 33 21.104 -11.167 7.227 1.00 0.00 C ATOM 123 CG2 VAL A 33 21.279 -8.882 6.243 1.00 0.00 C ATOM 0 H VAL A 33 20.372 -7.449 8.484 1.00 0.00 H new ATOM 0 HA VAL A 33 18.852 -9.620 7.282 1.00 0.00 H new ATOM 0 HB VAL A 33 21.732 -9.402 8.281 1.00 0.00 H new ATOM 0 HG11 VAL A 33 22.106 -11.398 6.865 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.909 -11.730 8.139 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.372 -11.441 6.468 1.00 0.00 H new ATOM 0 HG21 VAL A 33 22.280 -9.117 5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.546 -9.150 5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.210 -7.815 6.453 1.00 0.00 H new ATOM 133 N HIS A 34 18.434 -11.115 9.203 1.00 0.00 N ATOM 134 CA HIS A 34 18.110 -11.961 10.346 1.00 0.00 C ATOM 135 C HIS A 34 18.874 -13.283 10.299 1.00 0.00 C ATOM 136 O HIS A 34 18.979 -13.979 11.308 1.00 0.00 O ATOM 137 CB HIS A 34 16.610 -12.247 10.386 1.00 0.00 C ATOM 138 CG HIS A 34 15.887 -11.075 10.986 1.00 0.00 C ATOM 139 ND1 HIS A 34 14.533 -11.117 11.279 1.00 0.00 N ATOM 140 CD2 HIS A 34 16.317 -9.832 11.379 1.00 0.00 C ATOM 141 CE1 HIS A 34 14.201 -9.935 11.830 1.00 0.00 C ATOM 142 NE2 HIS A 34 15.251 -9.115 11.913 1.00 0.00 N ATOM 0 H HIS A 34 17.920 -11.338 8.350 1.00 0.00 H new ATOM 0 HA HIS A 34 18.406 -11.422 11.246 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.240 -12.438 9.379 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.417 -13.145 10.973 1.00 0.00 H new ATOM 0 HD2 HIS A 34 17.329 -9.466 11.288 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.206 -9.681 12.164 1.00 0.00 H new ATOM 0 HE2 HIS A 34 15.268 -8.166 12.288 1.00 0.00 H new ATOM 150 N THR A 35 19.410 -13.626 9.131 1.00 0.00 N ATOM 151 CA THR A 35 20.162 -14.868 8.988 1.00 0.00 C ATOM 152 C THR A 35 21.319 -14.672 8.016 1.00 0.00 C ATOM 153 O THR A 35 21.191 -13.957 7.025 1.00 0.00 O ATOM 154 CB THR A 35 19.240 -15.980 8.477 1.00 0.00 C ATOM 155 OG1 THR A 35 19.942 -17.216 8.475 1.00 0.00 O ATOM 156 CG2 THR A 35 18.776 -15.649 7.061 1.00 0.00 C ATOM 0 H THR A 35 19.339 -13.069 8.280 1.00 0.00 H new ATOM 0 HA THR A 35 20.561 -15.151 9.962 1.00 0.00 H new ATOM 0 HB THR A 35 18.371 -16.060 9.131 1.00 0.00 H new ATOM 0 HG1 THR A 35 19.351 -17.927 8.150 1.00 0.00 H new ATOM 0 HG21 THR A 35 18.120 -16.441 6.699 1.00 0.00 H new ATOM 0 HG22 THR A 35 18.234 -14.703 7.067 1.00 0.00 H new ATOM 0 HG23 THR A 35 19.642 -15.566 6.404 1.00 0.00 H new ATOM 164 N ASP A 36 22.450 -15.304 8.306 1.00 0.00 N ATOM 165 CA ASP A 36 23.619 -15.171 7.448 1.00 0.00 C ATOM 166 C ASP A 36 23.332 -15.719 6.058 1.00 0.00 C ATOM 167 O ASP A 36 23.075 -16.912 5.895 1.00 0.00 O ATOM 168 CB ASP A 36 24.793 -15.938 8.055 1.00 0.00 C ATOM 169 CG ASP A 36 25.098 -15.404 9.450 1.00 0.00 C ATOM 170 OD1 ASP A 36 25.188 -14.198 9.595 1.00 0.00 O ATOM 171 OD2 ASP A 36 25.235 -16.212 10.354 1.00 0.00 O ATOM 0 H ASP A 36 22.581 -15.906 9.119 1.00 0.00 H new ATOM 0 HA ASP A 36 23.867 -14.113 7.367 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.556 -17.001 8.107 1.00 0.00 H new ATOM 0 HB3 ASP A 36 25.672 -15.838 7.418 1.00 0.00 H new ATOM 176 N PHE A 37 23.397 -14.847 5.052 1.00 0.00 N ATOM 177 CA PHE A 37 23.162 -15.272 3.677 1.00 0.00 C ATOM 178 C PHE A 37 24.385 -14.953 2.830 1.00 0.00 C ATOM 179 O PHE A 37 24.686 -13.787 2.566 1.00 0.00 O ATOM 180 CB PHE A 37 21.916 -14.574 3.119 1.00 0.00 C ATOM 181 CG PHE A 37 21.690 -14.976 1.679 1.00 0.00 C ATOM 182 CD1 PHE A 37 21.715 -16.328 1.320 1.00 0.00 C ATOM 183 CD2 PHE A 37 21.444 -13.998 0.701 1.00 0.00 C ATOM 184 CE1 PHE A 37 21.493 -16.704 -0.011 1.00 0.00 C ATOM 185 CE2 PHE A 37 21.223 -14.374 -0.630 1.00 0.00 C ATOM 186 CZ PHE A 37 21.249 -15.728 -0.986 1.00 0.00 C ATOM 0 H PHE A 37 23.608 -13.855 5.163 1.00 0.00 H new ATOM 0 HA PHE A 37 22.991 -16.348 3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 37 21.044 -14.837 3.718 1.00 0.00 H new ATOM 0 HB3 PHE A 37 22.035 -13.493 3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 37 21.906 -17.082 2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 37 21.425 -12.954 0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 37 21.510 -17.748 -0.286 1.00 0.00 H new ATOM 0 HE2 PHE A 37 21.033 -13.621 -1.380 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.081 -16.020 -2.012 1.00 0.00 H new ATOM 196 N THR A 38 25.093 -15.990 2.402 1.00 0.00 N ATOM 197 CA THR A 38 26.283 -15.798 1.586 1.00 0.00 C ATOM 198 C THR A 38 26.207 -16.675 0.331 1.00 0.00 C ATOM 199 O THR A 38 26.584 -17.848 0.373 1.00 0.00 O ATOM 200 CB THR A 38 27.538 -16.156 2.388 1.00 0.00 C ATOM 201 OG1 THR A 38 27.611 -15.337 3.552 1.00 0.00 O ATOM 202 CG2 THR A 38 28.778 -15.915 1.522 1.00 0.00 C ATOM 0 H THR A 38 24.866 -16.964 2.604 1.00 0.00 H new ATOM 0 HA THR A 38 26.336 -14.750 1.289 1.00 0.00 H new ATOM 0 HB THR A 38 27.493 -17.204 2.683 1.00 0.00 H new ATOM 0 HG1 THR A 38 28.413 -15.568 4.065 1.00 0.00 H new ATOM 0 HG21 THR A 38 29.673 -16.169 2.090 1.00 0.00 H new ATOM 0 HG22 THR A 38 28.725 -16.539 0.630 1.00 0.00 H new ATOM 0 HG23 THR A 38 28.819 -14.866 1.230 1.00 0.00 H new ATOM 210 N PRO A 39 25.735 -16.147 -0.777 1.00 0.00 N ATOM 211 CA PRO A 39 25.615 -16.926 -2.046 1.00 0.00 C ATOM 212 C PRO A 39 26.944 -17.558 -2.458 1.00 0.00 C ATOM 213 O PRO A 39 28.015 -17.056 -2.116 1.00 0.00 O ATOM 214 CB PRO A 39 25.179 -15.881 -3.079 1.00 0.00 C ATOM 215 CG PRO A 39 24.531 -14.797 -2.291 1.00 0.00 C ATOM 216 CD PRO A 39 25.252 -14.763 -0.946 1.00 0.00 C ATOM 0 HA PRO A 39 24.915 -17.756 -1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 39 26.033 -15.503 -3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 39 24.486 -16.309 -3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 39 24.616 -13.839 -2.803 1.00 0.00 H new ATOM 0 HG3 PRO A 39 23.467 -14.994 -2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 39 26.075 -14.049 -0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 39 24.581 -14.471 -0.138 1.00 0.00 H new ATOM 224 N SER A 40 26.863 -18.669 -3.185 1.00 0.00 N ATOM 225 CA SER A 40 28.062 -19.371 -3.628 1.00 0.00 C ATOM 226 C SER A 40 28.934 -18.452 -4.486 1.00 0.00 C ATOM 227 O SER A 40 28.437 -17.498 -5.086 1.00 0.00 O ATOM 228 CB SER A 40 27.668 -20.608 -4.438 1.00 0.00 C ATOM 229 OG SER A 40 27.128 -21.590 -3.563 1.00 0.00 O ATOM 0 H SER A 40 25.986 -19.100 -3.478 1.00 0.00 H new ATOM 0 HA SER A 40 28.631 -19.677 -2.750 1.00 0.00 H new ATOM 0 HB2 SER A 40 26.935 -20.340 -5.199 1.00 0.00 H new ATOM 0 HB3 SER A 40 28.538 -21.008 -4.959 1.00 0.00 H new ATOM 0 HG SER A 40 26.873 -22.383 -4.079 1.00 0.00 H new ATOM 235 N PRO A 41 30.219 -18.706 -4.544 1.00 0.00 N ATOM 236 CA PRO A 41 31.170 -17.869 -5.340 1.00 0.00 C ATOM 237 C PRO A 41 30.778 -17.794 -6.812 1.00 0.00 C ATOM 238 O PRO A 41 31.128 -16.842 -7.509 1.00 0.00 O ATOM 239 CB PRO A 41 32.525 -18.576 -5.168 1.00 0.00 C ATOM 240 CG PRO A 41 32.199 -19.949 -4.683 1.00 0.00 C ATOM 241 CD PRO A 41 30.917 -19.812 -3.872 1.00 0.00 C ATOM 0 HA PRO A 41 31.182 -16.834 -4.997 1.00 0.00 H new ATOM 0 HB2 PRO A 41 33.071 -18.612 -6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 41 33.156 -18.047 -4.454 1.00 0.00 H new ATOM 0 HG2 PRO A 41 32.061 -20.636 -5.518 1.00 0.00 H new ATOM 0 HG3 PRO A 41 33.007 -20.349 -4.071 1.00 0.00 H new ATOM 0 HD2 PRO A 41 30.329 -20.730 -3.888 1.00 0.00 H new ATOM 0 HD3 PRO A 41 31.123 -19.584 -2.826 1.00 0.00 H new ATOM 249 N TYR A 42 30.047 -18.799 -7.276 1.00 0.00 N ATOM 250 CA TYR A 42 29.607 -18.832 -8.666 1.00 0.00 C ATOM 251 C TYR A 42 28.625 -17.691 -8.940 1.00 0.00 C ATOM 252 O TYR A 42 28.421 -17.297 -10.088 1.00 0.00 O ATOM 253 CB TYR A 42 28.922 -20.168 -8.959 1.00 0.00 C ATOM 254 CG TYR A 42 29.900 -21.292 -8.720 1.00 0.00 C ATOM 255 CD1 TYR A 42 29.948 -21.911 -7.466 1.00 0.00 C ATOM 256 CD2 TYR A 42 30.760 -21.712 -9.742 1.00 0.00 C ATOM 257 CE1 TYR A 42 30.851 -22.952 -7.232 1.00 0.00 C ATOM 258 CE2 TYR A 42 31.666 -22.755 -9.508 1.00 0.00 C ATOM 259 CZ TYR A 42 31.711 -23.375 -8.252 1.00 0.00 C ATOM 260 OH TYR A 42 32.602 -24.402 -8.021 1.00 0.00 O ATOM 0 H TYR A 42 29.748 -19.597 -6.716 1.00 0.00 H new ATOM 0 HA TYR A 42 30.478 -18.716 -9.310 1.00 0.00 H new ATOM 0 HB2 TYR A 42 28.047 -20.289 -8.320 1.00 0.00 H new ATOM 0 HB3 TYR A 42 28.569 -20.191 -9.990 1.00 0.00 H new ATOM 0 HD1 TYR A 42 29.286 -21.584 -6.678 1.00 0.00 H new ATOM 0 HD2 TYR A 42 30.725 -21.233 -10.709 1.00 0.00 H new ATOM 0 HE1 TYR A 42 30.885 -23.430 -6.264 1.00 0.00 H new ATOM 0 HE2 TYR A 42 32.329 -23.081 -10.295 1.00 0.00 H new ATOM 0 HH TYR A 42 33.123 -24.572 -8.833 1.00 0.00 H new ATOM 270 N ASP A 43 28.019 -17.165 -7.876 1.00 0.00 N ATOM 271 CA ASP A 43 27.062 -16.073 -8.015 1.00 0.00 C ATOM 272 C ASP A 43 27.746 -14.729 -7.780 1.00 0.00 C ATOM 273 O ASP A 43 27.373 -13.978 -6.880 1.00 0.00 O ATOM 274 CB ASP A 43 25.922 -16.254 -7.013 1.00 0.00 C ATOM 275 CG ASP A 43 25.302 -17.637 -7.181 1.00 0.00 C ATOM 276 OD1 ASP A 43 24.982 -17.989 -8.304 1.00 0.00 O ATOM 277 OD2 ASP A 43 25.163 -18.327 -6.184 1.00 0.00 O ATOM 0 H ASP A 43 28.173 -17.476 -6.917 1.00 0.00 H new ATOM 0 HA ASP A 43 26.661 -16.088 -9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 43 26.297 -16.134 -5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 43 25.165 -15.485 -7.166 1.00 0.00 H new ATOM 282 N THR A 44 28.750 -14.431 -8.597 1.00 0.00 N ATOM 283 CA THR A 44 29.476 -13.171 -8.469 1.00 0.00 C ATOM 284 C THR A 44 28.532 -11.985 -8.664 1.00 0.00 C ATOM 285 O THR A 44 28.847 -10.861 -8.271 1.00 0.00 O ATOM 286 CB THR A 44 30.607 -13.105 -9.498 1.00 0.00 C ATOM 287 OG1 THR A 44 31.454 -12.004 -9.199 1.00 0.00 O ATOM 288 CG2 THR A 44 30.022 -12.932 -10.901 1.00 0.00 C ATOM 0 H THR A 44 29.078 -15.038 -9.349 1.00 0.00 H new ATOM 0 HA THR A 44 29.901 -13.121 -7.466 1.00 0.00 H new ATOM 0 HB THR A 44 31.182 -14.030 -9.460 1.00 0.00 H new ATOM 0 HG1 THR A 44 32.180 -11.962 -9.856 1.00 0.00 H new ATOM 0 HG21 THR A 44 30.831 -12.886 -11.630 1.00 0.00 H new ATOM 0 HG22 THR A 44 29.374 -13.778 -11.132 1.00 0.00 H new ATOM 0 HG23 THR A 44 29.443 -12.009 -10.943 1.00 0.00 H new ATOM 296 N ASP A 45 27.376 -12.241 -9.274 1.00 0.00 N ATOM 297 CA ASP A 45 26.398 -11.186 -9.513 1.00 0.00 C ATOM 298 C ASP A 45 25.418 -11.060 -8.343 1.00 0.00 C ATOM 299 O ASP A 45 24.441 -10.314 -8.423 1.00 0.00 O ATOM 300 CB ASP A 45 25.626 -11.478 -10.805 1.00 0.00 C ATOM 301 CG ASP A 45 24.843 -12.779 -10.670 1.00 0.00 C ATOM 302 OD1 ASP A 45 24.961 -13.416 -9.636 1.00 0.00 O ATOM 303 OD2 ASP A 45 24.136 -13.121 -11.603 1.00 0.00 O ATOM 0 H ASP A 45 27.097 -13.163 -9.609 1.00 0.00 H new ATOM 0 HA ASP A 45 26.935 -10.242 -9.610 1.00 0.00 H new ATOM 0 HB2 ASP A 45 24.944 -10.656 -11.023 1.00 0.00 H new ATOM 0 HB3 ASP A 45 26.319 -11.548 -11.643 1.00 0.00 H new ATOM 308 N SER A 46 25.680 -11.791 -7.258 1.00 0.00 N ATOM 309 CA SER A 46 24.814 -11.747 -6.089 1.00 0.00 C ATOM 310 C SER A 46 25.480 -10.971 -4.955 1.00 0.00 C ATOM 311 O SER A 46 26.696 -11.032 -4.776 1.00 0.00 O ATOM 312 CB SER A 46 24.505 -13.170 -5.622 1.00 0.00 C ATOM 313 OG SER A 46 23.709 -13.822 -6.601 1.00 0.00 O ATOM 0 H SER A 46 26.481 -12.416 -7.169 1.00 0.00 H new ATOM 0 HA SER A 46 23.888 -11.241 -6.363 1.00 0.00 H new ATOM 0 HB2 SER A 46 25.431 -13.722 -5.463 1.00 0.00 H new ATOM 0 HB3 SER A 46 23.980 -13.146 -4.667 1.00 0.00 H new ATOM 0 HG SER A 46 23.378 -14.671 -6.241 1.00 0.00 H new ATOM 319 N LEU A 47 24.672 -10.239 -4.192 1.00 0.00 N ATOM 320 CA LEU A 47 25.189 -9.454 -3.081 1.00 0.00 C ATOM 321 C LEU A 47 25.389 -10.333 -1.853 1.00 0.00 C ATOM 322 O LEU A 47 24.581 -11.219 -1.572 1.00 0.00 O ATOM 323 CB LEU A 47 24.216 -8.323 -2.746 1.00 0.00 C ATOM 324 CG LEU A 47 24.778 -7.473 -1.605 1.00 0.00 C ATOM 325 CD1 LEU A 47 26.078 -6.793 -2.051 1.00 0.00 C ATOM 326 CD2 LEU A 47 23.748 -6.410 -1.225 1.00 0.00 C ATOM 0 H LEU A 47 23.663 -10.175 -4.324 1.00 0.00 H new ATOM 0 HA LEU A 47 26.151 -9.033 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 47 24.050 -7.702 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.249 -8.736 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 47 24.989 -8.109 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.472 -6.190 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 47 26.810 -7.552 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.878 -6.153 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.139 -5.798 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.543 -5.777 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 47 22.826 -6.895 -0.903 1.00 0.00 H new ATOM 338 N LYS A 48 26.460 -10.075 -1.113 1.00 0.00 N ATOM 339 CA LYS A 48 26.743 -10.837 0.096 1.00 0.00 C ATOM 340 C LYS A 48 26.277 -10.071 1.331 1.00 0.00 C ATOM 341 O LYS A 48 26.643 -8.912 1.523 1.00 0.00 O ATOM 342 CB LYS A 48 28.241 -11.117 0.196 1.00 0.00 C ATOM 343 CG LYS A 48 28.534 -12.498 -0.390 1.00 0.00 C ATOM 344 CD LYS A 48 28.233 -12.488 -1.890 1.00 0.00 C ATOM 345 CE LYS A 48 29.033 -13.594 -2.578 1.00 0.00 C ATOM 346 NZ LYS A 48 30.483 -13.258 -2.533 1.00 0.00 N ATOM 0 H LYS A 48 27.143 -9.348 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 48 26.202 -11.782 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.803 -10.354 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.562 -11.075 1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.577 -12.764 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 48 27.927 -13.253 0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 48 27.167 -12.637 -2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.491 -11.519 -2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 48 28.854 -14.549 -2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 48 28.706 -13.705 -3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 30.956 -13.648 -3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 30.600 -12.225 -2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 30.908 -13.666 -1.676 1.00 0.00 H new ATOM 360 N ILE A 49 25.469 -10.721 2.167 1.00 0.00 N ATOM 361 CA ILE A 49 24.973 -10.073 3.374 1.00 0.00 C ATOM 362 C ILE A 49 25.164 -10.982 4.592 1.00 0.00 C ATOM 363 O ILE A 49 25.112 -12.210 4.480 1.00 0.00 O ATOM 364 CB ILE A 49 23.491 -9.729 3.198 1.00 0.00 C ATOM 365 CG1 ILE A 49 22.659 -11.014 3.183 1.00 0.00 C ATOM 366 CG2 ILE A 49 23.293 -8.988 1.875 1.00 0.00 C ATOM 367 CD1 ILE A 49 21.172 -10.675 3.034 1.00 0.00 C ATOM 0 H ILE A 49 25.149 -11.680 2.032 1.00 0.00 H new ATOM 0 HA ILE A 49 25.539 -9.157 3.541 1.00 0.00 H new ATOM 0 HB ILE A 49 23.170 -9.097 4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 49 22.979 -11.654 2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.822 -11.573 4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 49 22.238 -8.743 1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 49 23.881 -8.070 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 49 23.619 -9.622 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 49 20.588 -11.595 3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.855 -10.053 3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 49 21.014 -10.135 2.100 1.00 0.00 H new ATOM 379 N LYS A 50 25.382 -10.368 5.750 1.00 0.00 N ATOM 380 CA LYS A 50 25.583 -11.127 6.982 1.00 0.00 C ATOM 381 C LYS A 50 24.559 -10.726 8.040 1.00 0.00 C ATOM 382 O LYS A 50 24.055 -9.604 8.036 1.00 0.00 O ATOM 383 CB LYS A 50 26.994 -10.890 7.520 1.00 0.00 C ATOM 384 CG LYS A 50 27.266 -11.856 8.677 1.00 0.00 C ATOM 385 CD LYS A 50 28.727 -11.735 9.113 1.00 0.00 C ATOM 386 CE LYS A 50 28.958 -10.359 9.738 1.00 0.00 C ATOM 387 NZ LYS A 50 30.339 -10.288 10.290 1.00 0.00 N ATOM 0 H LYS A 50 25.424 -9.355 5.863 1.00 0.00 H new ATOM 0 HA LYS A 50 25.454 -12.185 6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 50 27.727 -11.039 6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 50 27.097 -9.860 7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 50 26.606 -11.631 9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.052 -12.879 8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.970 -12.518 9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 50 29.386 -11.873 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.814 -9.580 8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.230 -10.180 10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 30.495 -9.352 10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 30.461 -11.022 11.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 31.027 -10.440 9.525 1.00 0.00 H new ATOM 401 N LYS A 51 24.251 -11.655 8.937 1.00 0.00 N ATOM 402 CA LYS A 51 23.278 -11.394 9.993 1.00 0.00 C ATOM 403 C LYS A 51 23.687 -10.183 10.829 1.00 0.00 C ATOM 404 O LYS A 51 24.812 -10.104 11.322 1.00 0.00 O ATOM 405 CB LYS A 51 23.176 -12.608 10.918 1.00 0.00 C ATOM 406 CG LYS A 51 22.017 -12.410 11.900 1.00 0.00 C ATOM 407 CD LYS A 51 22.119 -13.439 13.028 1.00 0.00 C ATOM 408 CE LYS A 51 21.929 -14.848 12.469 1.00 0.00 C ATOM 409 NZ LYS A 51 21.995 -15.831 13.587 1.00 0.00 N ATOM 0 H LYS A 51 24.657 -12.590 8.956 1.00 0.00 H new ATOM 0 HA LYS A 51 22.317 -11.195 9.518 1.00 0.00 H new ATOM 0 HB2 LYS A 51 23.018 -13.513 10.331 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.110 -12.741 11.464 1.00 0.00 H new ATOM 0 HG2 LYS A 51 22.044 -11.401 12.311 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.065 -12.518 11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 51 23.090 -13.361 13.516 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.364 -13.235 13.787 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.969 -14.923 11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 51 22.700 -15.066 11.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.866 -16.792 13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.921 -15.763 14.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 21.244 -15.625 14.276 1.00 0.00 H new ATOM 423 N GLY A 52 22.755 -9.248 10.984 1.00 0.00 N ATOM 424 CA GLY A 52 23.010 -8.043 11.764 1.00 0.00 C ATOM 425 C GLY A 52 23.328 -6.854 10.865 1.00 0.00 C ATOM 426 O GLY A 52 23.230 -5.703 11.291 1.00 0.00 O ATOM 0 H GLY A 52 21.819 -9.301 10.581 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.139 -7.814 12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 52 23.842 -8.218 12.445 1.00 0.00 H new ATOM 430 N ASP A 53 23.703 -7.131 9.620 1.00 0.00 N ATOM 431 CA ASP A 53 24.021 -6.067 8.679 1.00 0.00 C ATOM 432 C ASP A 53 22.752 -5.339 8.237 1.00 0.00 C ATOM 433 O ASP A 53 21.696 -5.951 8.083 1.00 0.00 O ATOM 434 CB ASP A 53 24.730 -6.644 7.452 1.00 0.00 C ATOM 435 CG ASP A 53 26.147 -7.069 7.822 1.00 0.00 C ATOM 436 OD1 ASP A 53 26.593 -6.702 8.897 1.00 0.00 O ATOM 437 OD2 ASP A 53 26.767 -7.753 7.024 1.00 0.00 O ATOM 0 H ASP A 53 23.793 -8.075 9.243 1.00 0.00 H new ATOM 0 HA ASP A 53 24.679 -5.357 9.179 1.00 0.00 H new ATOM 0 HB2 ASP A 53 24.173 -7.499 7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 53 24.761 -5.900 6.656 1.00 0.00 H new ATOM 442 N ILE A 54 22.872 -4.032 8.020 1.00 0.00 N ATOM 443 CA ILE A 54 21.735 -3.227 7.578 1.00 0.00 C ATOM 444 C ILE A 54 21.954 -2.739 6.151 1.00 0.00 C ATOM 445 O ILE A 54 23.004 -2.187 5.826 1.00 0.00 O ATOM 446 CB ILE A 54 21.515 -2.039 8.521 1.00 0.00 C ATOM 447 CG1 ILE A 54 21.033 -2.561 9.881 1.00 0.00 C ATOM 448 CG2 ILE A 54 20.471 -1.088 7.931 1.00 0.00 C ATOM 449 CD1 ILE A 54 21.029 -1.424 10.907 1.00 0.00 C ATOM 0 H ILE A 54 23.739 -3.509 8.142 1.00 0.00 H new ATOM 0 HA ILE A 54 20.842 -3.852 7.599 1.00 0.00 H new ATOM 0 HB ILE A 54 22.452 -1.496 8.647 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.031 -2.979 9.785 1.00 0.00 H new ATOM 0 HG13 ILE A 54 21.683 -3.367 10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.321 -0.247 8.608 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.819 -0.720 6.966 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.529 -1.619 7.798 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.686 -1.804 11.869 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.038 -1.026 11.013 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.360 -0.632 10.570 1.00 0.00 H new ATOM 461 N ILE A 55 20.957 -2.964 5.301 1.00 0.00 N ATOM 462 CA ILE A 55 21.047 -2.563 3.902 1.00 0.00 C ATOM 463 C ILE A 55 19.901 -1.627 3.529 1.00 0.00 C ATOM 464 O ILE A 55 18.734 -1.937 3.766 1.00 0.00 O ATOM 465 CB ILE A 55 20.994 -3.797 3.006 1.00 0.00 C ATOM 466 CG1 ILE A 55 22.160 -4.725 3.350 1.00 0.00 C ATOM 467 CG2 ILE A 55 21.109 -3.362 1.543 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.948 -6.085 2.682 1.00 0.00 C ATOM 0 H ILE A 55 20.081 -3.420 5.555 1.00 0.00 H new ATOM 0 HA ILE A 55 21.992 -2.039 3.759 1.00 0.00 H new ATOM 0 HB ILE A 55 20.052 -4.322 3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.099 -4.286 3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.234 -4.847 4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.072 -4.240 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.283 -2.695 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.054 -2.841 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.780 -6.745 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 55 21.017 -6.525 3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.896 -5.955 1.601 1.00 0.00 H new ATOM 480 N ASP A 56 20.242 -0.490 2.938 1.00 0.00 N ATOM 481 CA ASP A 56 19.231 0.475 2.524 1.00 0.00 C ATOM 482 C ASP A 56 18.545 0.009 1.240 1.00 0.00 C ATOM 483 O ASP A 56 19.208 -0.417 0.295 1.00 0.00 O ATOM 484 CB ASP A 56 19.873 1.845 2.302 1.00 0.00 C ATOM 485 CG ASP A 56 18.797 2.876 1.983 1.00 0.00 C ATOM 486 OD1 ASP A 56 17.980 3.139 2.850 1.00 0.00 O ATOM 487 OD2 ASP A 56 18.804 3.387 0.874 1.00 0.00 O ATOM 0 H ASP A 56 21.203 -0.214 2.735 1.00 0.00 H new ATOM 0 HA ASP A 56 18.483 0.555 3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 56 20.425 2.146 3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 56 20.592 1.791 1.484 1.00 0.00 H new ATOM 492 N ILE A 57 17.218 0.090 1.212 1.00 0.00 N ATOM 493 CA ILE A 57 16.467 -0.335 0.031 1.00 0.00 C ATOM 494 C ILE A 57 16.682 0.652 -1.112 1.00 0.00 C ATOM 495 O ILE A 57 16.111 1.742 -1.122 1.00 0.00 O ATOM 496 CB ILE A 57 14.974 -0.408 0.362 1.00 0.00 C ATOM 497 CG1 ILE A 57 14.746 -1.416 1.489 1.00 0.00 C ATOM 498 CG2 ILE A 57 14.193 -0.855 -0.875 1.00 0.00 C ATOM 499 CD1 ILE A 57 13.303 -1.302 1.986 1.00 0.00 C ATOM 0 H ILE A 57 16.646 0.440 1.980 1.00 0.00 H new ATOM 0 HA ILE A 57 16.822 -1.320 -0.273 1.00 0.00 H new ATOM 0 HB ILE A 57 14.630 0.577 0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.941 -2.427 1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.441 -1.227 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.131 -0.906 -0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.349 -0.139 -1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.542 -1.839 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 57 13.137 -2.019 2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.125 -0.293 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.618 -1.512 1.165 1.00 0.00 H new ATOM 511 N ILE A 58 17.513 0.259 -2.075 1.00 0.00 N ATOM 512 CA ILE A 58 17.799 1.116 -3.219 1.00 0.00 C ATOM 513 C ILE A 58 16.791 0.862 -4.337 1.00 0.00 C ATOM 514 O ILE A 58 16.420 1.777 -5.070 1.00 0.00 O ATOM 515 CB ILE A 58 19.230 0.868 -3.719 1.00 0.00 C ATOM 516 CG1 ILE A 58 19.701 2.066 -4.547 1.00 0.00 C ATOM 517 CG2 ILE A 58 19.279 -0.391 -4.587 1.00 0.00 C ATOM 518 CD1 ILE A 58 21.208 1.955 -4.791 1.00 0.00 C ATOM 0 H ILE A 58 17.995 -0.640 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 58 17.714 2.157 -2.908 1.00 0.00 H new ATOM 0 HB ILE A 58 19.882 0.734 -2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.169 2.097 -5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.474 2.995 -4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.299 -0.554 -4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.954 -1.250 -4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.619 -0.267 -5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.545 2.808 -5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.732 1.945 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.422 1.033 -5.331 1.00 0.00 H new ATOM 530 N CYS A 59 16.359 -0.389 -4.471 1.00 0.00 N ATOM 531 CA CYS A 59 15.406 -0.750 -5.510 1.00 0.00 C ATOM 532 C CYS A 59 14.848 -2.147 -5.254 1.00 0.00 C ATOM 533 O CYS A 59 15.434 -2.931 -4.510 1.00 0.00 O ATOM 534 CB CYS A 59 16.092 -0.702 -6.878 1.00 0.00 C ATOM 535 SG CYS A 59 14.845 -0.786 -8.188 1.00 0.00 S ATOM 0 H CYS A 59 16.653 -1.164 -3.876 1.00 0.00 H new ATOM 0 HA CYS A 59 14.581 -0.038 -5.497 1.00 0.00 H new ATOM 0 HB2 CYS A 59 16.672 0.216 -6.973 1.00 0.00 H new ATOM 0 HB3 CYS A 59 16.791 -1.532 -6.974 1.00 0.00 H new ATOM 0 HG CYS A 59 15.431 -0.743 -9.348 1.00 0.00 H new ATOM 541 N LYS A 60 13.715 -2.453 -5.875 1.00 0.00 N ATOM 542 CA LYS A 60 13.096 -3.763 -5.707 1.00 0.00 C ATOM 543 C LYS A 60 12.980 -4.457 -7.059 1.00 0.00 C ATOM 544 O LYS A 60 12.759 -3.804 -8.079 1.00 0.00 O ATOM 545 CB LYS A 60 11.712 -3.609 -5.083 1.00 0.00 C ATOM 546 CG LYS A 60 11.859 -2.998 -3.692 1.00 0.00 C ATOM 547 CD LYS A 60 10.482 -2.849 -3.053 1.00 0.00 C ATOM 548 CE LYS A 60 10.633 -2.236 -1.662 1.00 0.00 C ATOM 549 NZ LYS A 60 9.288 -2.087 -1.043 1.00 0.00 N ATOM 0 H LYS A 60 13.210 -1.819 -6.494 1.00 0.00 H new ATOM 0 HA LYS A 60 13.718 -4.368 -5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.085 -2.974 -5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.218 -4.579 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.493 -3.630 -3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.347 -2.026 -3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.847 -2.217 -3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.994 -3.821 -2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.265 -2.869 -1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.124 -1.265 -1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.386 -1.670 -0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.700 -1.466 -1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.836 -3.021 -0.965 1.00 0.00 H new ATOM 563 N THR A 61 13.143 -5.776 -7.071 1.00 0.00 N ATOM 564 CA THR A 61 13.059 -6.514 -8.324 1.00 0.00 C ATOM 565 C THR A 61 11.688 -7.204 -8.437 1.00 0.00 C ATOM 566 O THR A 61 11.221 -7.801 -7.467 1.00 0.00 O ATOM 567 CB THR A 61 14.177 -7.568 -8.382 1.00 0.00 C ATOM 568 OG1 THR A 61 15.428 -6.945 -8.116 1.00 0.00 O ATOM 569 CG2 THR A 61 14.223 -8.194 -9.777 1.00 0.00 C ATOM 0 H THR A 61 13.330 -6.345 -6.246 1.00 0.00 H new ATOM 0 HA THR A 61 13.177 -5.818 -9.155 1.00 0.00 H new ATOM 0 HB THR A 61 13.980 -8.340 -7.639 1.00 0.00 H new ATOM 0 HG1 THR A 61 16.076 -7.622 -7.828 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.016 -8.941 -9.815 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.267 -8.670 -9.994 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.419 -7.419 -10.518 1.00 0.00 H new ATOM 577 N PRO A 62 11.034 -7.148 -9.585 1.00 0.00 N ATOM 578 CA PRO A 62 9.695 -7.797 -9.779 1.00 0.00 C ATOM 579 C PRO A 62 9.721 -9.300 -9.495 1.00 0.00 C ATOM 580 O PRO A 62 8.701 -9.890 -9.139 1.00 0.00 O ATOM 581 CB PRO A 62 9.362 -7.535 -11.257 1.00 0.00 C ATOM 582 CG PRO A 62 10.656 -7.160 -11.897 1.00 0.00 C ATOM 583 CD PRO A 62 11.471 -6.467 -10.814 1.00 0.00 C ATOM 0 HA PRO A 62 8.955 -7.392 -9.089 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.935 -8.421 -11.726 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.628 -6.736 -11.358 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.176 -8.041 -12.273 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.494 -6.498 -12.748 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.542 -6.581 -10.980 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.266 -5.397 -10.777 1.00 0.00 H new ATOM 591 N MET A 63 10.891 -9.911 -9.646 1.00 0.00 N ATOM 592 CA MET A 63 11.044 -11.341 -9.394 1.00 0.00 C ATOM 593 C MET A 63 10.736 -11.654 -7.933 1.00 0.00 C ATOM 594 O MET A 63 10.124 -12.677 -7.619 1.00 0.00 O ATOM 595 CB MET A 63 12.473 -11.778 -9.724 1.00 0.00 C ATOM 596 CG MET A 63 12.687 -11.718 -11.238 1.00 0.00 C ATOM 597 SD MET A 63 14.398 -12.160 -11.625 1.00 0.00 S ATOM 598 CE MET A 63 14.265 -12.032 -13.426 1.00 0.00 C ATOM 0 H MET A 63 11.746 -9.440 -9.941 1.00 0.00 H new ATOM 0 HA MET A 63 10.345 -11.886 -10.029 1.00 0.00 H new ATOM 0 HB2 MET A 63 13.189 -11.130 -9.219 1.00 0.00 H new ATOM 0 HB3 MET A 63 12.648 -12.791 -9.361 1.00 0.00 H new ATOM 0 HG2 MET A 63 12.002 -12.401 -11.740 1.00 0.00 H new ATOM 0 HG3 MET A 63 12.467 -10.716 -11.608 1.00 0.00 H new ATOM 0 HE1 MET A 63 15.227 -12.269 -13.880 1.00 0.00 H new ATOM 0 HE2 MET A 63 13.512 -12.733 -13.786 1.00 0.00 H new ATOM 0 HE3 MET A 63 13.975 -11.017 -13.698 1.00 0.00 H new ATOM 608 N GLY A 64 11.164 -10.764 -7.044 1.00 0.00 N ATOM 609 CA GLY A 64 10.930 -10.945 -5.615 1.00 0.00 C ATOM 610 C GLY A 64 12.130 -10.479 -4.799 1.00 0.00 C ATOM 611 O GLY A 64 11.973 -9.864 -3.745 1.00 0.00 O ATOM 0 H GLY A 64 11.673 -9.914 -7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.043 -10.387 -5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.730 -11.996 -5.406 1.00 0.00 H new ATOM 615 N MET A 65 13.330 -10.775 -5.291 1.00 0.00 N ATOM 616 CA MET A 65 14.547 -10.386 -4.585 1.00 0.00 C ATOM 617 C MET A 65 14.675 -8.867 -4.506 1.00 0.00 C ATOM 618 O MET A 65 14.294 -8.149 -5.423 1.00 0.00 O ATOM 619 CB MET A 65 15.777 -10.964 -5.285 1.00 0.00 C ATOM 620 CG MET A 65 15.772 -12.489 -5.173 1.00 0.00 C ATOM 621 SD MET A 65 17.265 -13.156 -5.950 1.00 0.00 S ATOM 622 CE MET A 65 18.432 -12.677 -4.646 1.00 0.00 C ATOM 0 H MET A 65 13.485 -11.277 -6.165 1.00 0.00 H new ATOM 0 HA MET A 65 14.485 -10.785 -3.573 1.00 0.00 H new ATOM 0 HB2 MET A 65 15.782 -10.668 -6.334 1.00 0.00 H new ATOM 0 HB3 MET A 65 16.685 -10.561 -4.836 1.00 0.00 H new ATOM 0 HG2 MET A 65 15.730 -12.787 -4.125 1.00 0.00 H new ATOM 0 HG3 MET A 65 14.884 -12.897 -5.656 1.00 0.00 H new ATOM 0 HE1 MET A 65 19.382 -13.188 -4.802 1.00 0.00 H new ATOM 0 HE2 MET A 65 18.591 -11.599 -4.678 1.00 0.00 H new ATOM 0 HE3 MET A 65 18.026 -12.955 -3.674 1.00 0.00 H new ATOM 632 N TRP A 66 15.210 -8.389 -3.393 1.00 0.00 N ATOM 633 CA TRP A 66 15.380 -6.956 -3.188 1.00 0.00 C ATOM 634 C TRP A 66 16.797 -6.510 -3.531 1.00 0.00 C ATOM 635 O TRP A 66 17.737 -7.306 -3.515 1.00 0.00 O ATOM 636 CB TRP A 66 15.067 -6.592 -1.734 1.00 0.00 C ATOM 637 CG TRP A 66 13.584 -6.595 -1.493 1.00 0.00 C ATOM 638 CD1 TRP A 66 12.629 -6.881 -2.409 1.00 0.00 C ATOM 639 CD2 TRP A 66 12.881 -6.291 -0.256 1.00 0.00 C ATOM 640 NE1 TRP A 66 11.386 -6.760 -1.817 1.00 0.00 N ATOM 641 CE2 TRP A 66 11.490 -6.402 -0.485 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.317 -5.935 1.029 1.00 0.00 C ATOM 643 CZ2 TRP A 66 10.563 -6.156 0.534 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.391 -5.692 2.052 1.00 0.00 C ATOM 645 CH2 TRP A 66 11.016 -5.803 1.806 1.00 0.00 C ATOM 0 H TRP A 66 15.534 -8.969 -2.619 1.00 0.00 H new ATOM 0 HA TRP A 66 14.687 -6.440 -3.853 1.00 0.00 H new ATOM 0 HB2 TRP A 66 15.551 -7.303 -1.064 1.00 0.00 H new ATOM 0 HB3 TRP A 66 15.476 -5.608 -1.504 1.00 0.00 H new ATOM 0 HD1 TRP A 66 12.809 -7.159 -3.437 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.502 -6.915 -2.302 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.374 -5.848 1.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.504 -6.239 0.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.739 -5.417 3.037 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.308 -5.616 2.600 1.00 0.00 H new ATOM 656 N THR A 67 16.934 -5.227 -3.853 1.00 0.00 N ATOM 657 CA THR A 67 18.229 -4.664 -4.209 1.00 0.00 C ATOM 658 C THR A 67 18.628 -3.592 -3.201 1.00 0.00 C ATOM 659 O THR A 67 17.797 -2.787 -2.771 1.00 0.00 O ATOM 660 CB THR A 67 18.172 -4.059 -5.610 1.00 0.00 C ATOM 661 OG1 THR A 67 17.764 -5.056 -6.533 1.00 0.00 O ATOM 662 CG2 THR A 67 19.560 -3.551 -5.993 1.00 0.00 C ATOM 0 H THR A 67 16.163 -4.559 -3.874 1.00 0.00 H new ATOM 0 HA THR A 67 18.972 -5.461 -4.196 1.00 0.00 H new ATOM 0 HB THR A 67 17.462 -3.233 -5.627 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.399 -5.802 -6.511 1.00 0.00 H new ATOM 0 HG21 THR A 67 19.526 -3.118 -6.993 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.879 -2.792 -5.279 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.267 -4.380 -5.981 1.00 0.00 H new ATOM 670 N GLY A 68 19.902 -3.578 -2.833 1.00 0.00 N ATOM 671 CA GLY A 68 20.396 -2.599 -1.875 1.00 0.00 C ATOM 672 C GLY A 68 21.897 -2.382 -2.039 1.00 0.00 C ATOM 673 O GLY A 68 22.519 -2.931 -2.949 1.00 0.00 O ATOM 0 H GLY A 68 20.607 -4.228 -3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.871 -1.654 -2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.183 -2.937 -0.861 1.00 0.00 H new ATOM 677 N MET A 69 22.468 -1.570 -1.154 1.00 0.00 N ATOM 678 CA MET A 69 23.895 -1.276 -1.207 1.00 0.00 C ATOM 679 C MET A 69 24.574 -1.682 0.100 1.00 0.00 C ATOM 680 O MET A 69 24.011 -1.510 1.181 1.00 0.00 O ATOM 681 CB MET A 69 24.115 0.218 -1.459 1.00 0.00 C ATOM 682 CG MET A 69 25.614 0.503 -1.585 1.00 0.00 C ATOM 683 SD MET A 69 26.313 0.870 0.046 1.00 0.00 S ATOM 684 CE MET A 69 25.683 2.560 0.190 1.00 0.00 C ATOM 0 H MET A 69 21.967 -1.107 -0.396 1.00 0.00 H new ATOM 0 HA MET A 69 24.334 -1.848 -2.025 1.00 0.00 H new ATOM 0 HB2 MET A 69 23.599 0.523 -2.369 1.00 0.00 H new ATOM 0 HB3 MET A 69 23.691 0.801 -0.641 1.00 0.00 H new ATOM 0 HG2 MET A 69 26.121 -0.357 -2.022 1.00 0.00 H new ATOM 0 HG3 MET A 69 25.777 1.345 -2.258 1.00 0.00 H new ATOM 0 HE1 MET A 69 26.518 3.261 0.186 1.00 0.00 H new ATOM 0 HE2 MET A 69 25.024 2.776 -0.651 1.00 0.00 H new ATOM 0 HE3 MET A 69 25.127 2.663 1.122 1.00 0.00 H new ATOM 694 N LEU A 70 25.783 -2.219 -0.011 1.00 0.00 N ATOM 695 CA LEU A 70 26.533 -2.645 1.163 1.00 0.00 C ATOM 696 C LEU A 70 28.035 -2.496 0.907 1.00 0.00 C ATOM 697 O LEU A 70 28.575 -3.086 -0.026 1.00 0.00 O ATOM 698 CB LEU A 70 26.198 -4.103 1.483 1.00 0.00 C ATOM 699 CG LEU A 70 25.917 -4.252 2.980 1.00 0.00 C ATOM 700 CD1 LEU A 70 25.307 -5.633 3.252 1.00 0.00 C ATOM 701 CD2 LEU A 70 27.221 -4.105 3.772 1.00 0.00 C ATOM 0 H LEU A 70 26.263 -2.369 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 70 26.258 -2.019 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.329 -4.421 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 70 27.027 -4.749 1.193 1.00 0.00 H new ATOM 0 HG LEU A 70 25.218 -3.476 3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 70 25.107 -5.739 4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.375 -5.735 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 70 26.005 -6.408 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 70 27.014 -4.212 4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 70 27.925 -4.876 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 70 27.652 -3.122 3.583 1.00 0.00 H new ATOM 713 N ASN A 71 28.704 -1.710 1.743 1.00 0.00 N ATOM 714 CA ASN A 71 30.142 -1.501 1.596 1.00 0.00 C ATOM 715 C ASN A 71 30.470 -1.116 0.157 1.00 0.00 C ATOM 716 O ASN A 71 31.354 -1.705 -0.463 1.00 0.00 O ATOM 717 CB ASN A 71 30.896 -2.781 1.942 1.00 0.00 C ATOM 718 CG ASN A 71 30.478 -3.277 3.314 1.00 0.00 C ATOM 719 OD1 ASN A 71 30.154 -4.529 3.454 1.00 0.00 O flip ATOM 720 ND2 ASN A 71 30.446 -2.510 4.277 1.00 0.00 N flip ATOM 0 H ASN A 71 28.279 -1.210 2.524 1.00 0.00 H new ATOM 0 HA ASN A 71 30.444 -0.701 2.272 1.00 0.00 H new ATOM 0 HB2 ASN A 71 30.693 -3.546 1.193 1.00 0.00 H new ATOM 0 HB3 ASN A 71 31.970 -2.596 1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 71 30.702 -1.530 4.157 1.00 0.00 H new ATOM 0 HD22 ASN A 71 30.164 -2.855 5.194 1.00 0.00 H new ATOM 727 N ASN A 72 29.752 -0.135 -0.374 1.00 0.00 N ATOM 728 CA ASN A 72 29.978 0.303 -1.745 1.00 0.00 C ATOM 729 C ASN A 72 29.753 -0.847 -2.723 1.00 0.00 C ATOM 730 O ASN A 72 30.429 -0.944 -3.747 1.00 0.00 O ATOM 731 CB ASN A 72 31.407 0.826 -1.900 1.00 0.00 C ATOM 732 CG ASN A 72 31.499 1.738 -3.121 1.00 0.00 C ATOM 733 OD1 ASN A 72 30.569 2.494 -3.402 1.00 0.00 O ATOM 734 ND2 ASN A 72 32.568 1.710 -3.868 1.00 0.00 N ATOM 0 H ASN A 72 29.014 0.369 0.119 1.00 0.00 H new ATOM 0 HA ASN A 72 29.270 1.101 -1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.702 1.373 -1.004 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.099 -0.009 -2.006 1.00 0.00 H new ATOM 0 HD21 ASN A 72 32.634 2.315 -4.686 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.338 1.083 -3.634 1.00 0.00 H new ATOM 741 N LYS A 73 28.790 -1.709 -2.410 1.00 0.00 N ATOM 742 CA LYS A 73 28.481 -2.839 -3.280 1.00 0.00 C ATOM 743 C LYS A 73 26.969 -2.953 -3.462 1.00 0.00 C ATOM 744 O LYS A 73 26.242 -3.201 -2.505 1.00 0.00 O ATOM 745 CB LYS A 73 29.022 -4.139 -2.671 1.00 0.00 C ATOM 746 CG LYS A 73 28.993 -5.249 -3.724 1.00 0.00 C ATOM 747 CD LYS A 73 30.087 -4.995 -4.764 1.00 0.00 C ATOM 748 CE LYS A 73 30.341 -6.276 -5.566 1.00 0.00 C ATOM 749 NZ LYS A 73 29.163 -6.579 -6.435 1.00 0.00 N ATOM 0 H LYS A 73 28.215 -1.648 -1.569 1.00 0.00 H new ATOM 0 HA LYS A 73 28.953 -2.675 -4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.041 -3.989 -2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 73 28.421 -4.426 -1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 73 29.145 -6.219 -3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 73 28.017 -5.280 -4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 73 29.787 -4.189 -5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 73 31.005 -4.675 -4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 73 31.235 -6.160 -6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 73 30.526 -7.109 -4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 29.358 -7.430 -7.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 28.326 -6.743 -5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 28.984 -5.775 -7.070 1.00 0.00 H new ATOM 763 N VAL A 74 26.499 -2.770 -4.692 1.00 0.00 N ATOM 764 CA VAL A 74 25.067 -2.853 -4.964 1.00 0.00 C ATOM 765 C VAL A 74 24.737 -4.153 -5.686 1.00 0.00 C ATOM 766 O VAL A 74 25.366 -4.492 -6.689 1.00 0.00 O ATOM 767 CB VAL A 74 24.619 -1.665 -5.819 1.00 0.00 C ATOM 768 CG1 VAL A 74 23.123 -1.788 -6.123 1.00 0.00 C ATOM 769 CG2 VAL A 74 24.877 -0.364 -5.057 1.00 0.00 C ATOM 0 H VAL A 74 27.079 -2.566 -5.506 1.00 0.00 H new ATOM 0 HA VAL A 74 24.537 -2.830 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 74 25.180 -1.659 -6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 74 22.805 -0.942 -6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 74 22.937 -2.715 -6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 74 22.561 -1.795 -5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 74 24.558 0.483 -5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 74 24.315 -0.372 -4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 74 25.941 -0.275 -4.840 1.00 0.00 H new ATOM 779 N GLY A 75 23.754 -4.883 -5.168 1.00 0.00 N ATOM 780 CA GLY A 75 23.364 -6.149 -5.776 1.00 0.00 C ATOM 781 C GLY A 75 22.019 -6.628 -5.237 1.00 0.00 C ATOM 782 O GLY A 75 21.333 -5.907 -4.512 1.00 0.00 O ATOM 0 H GLY A 75 23.219 -4.624 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.305 -6.033 -6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.127 -6.901 -5.577 1.00 0.00 H new ATOM 786 N ASN A 76 21.645 -7.847 -5.608 1.00 0.00 N ATOM 787 CA ASN A 76 20.377 -8.417 -5.170 1.00 0.00 C ATOM 788 C ASN A 76 20.586 -9.404 -4.023 1.00 0.00 C ATOM 789 O ASN A 76 21.651 -10.007 -3.891 1.00 0.00 O ATOM 790 CB ASN A 76 19.691 -9.129 -6.338 1.00 0.00 C ATOM 791 CG ASN A 76 19.300 -8.115 -7.408 1.00 0.00 C ATOM 792 OD1 ASN A 76 18.309 -7.401 -7.254 1.00 0.00 O ATOM 793 ND2 ASN A 76 20.028 -8.004 -8.485 1.00 0.00 N ATOM 0 H ASN A 76 22.199 -8.457 -6.209 1.00 0.00 H new ATOM 0 HA ASN A 76 19.745 -7.602 -4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 76 20.360 -9.878 -6.762 1.00 0.00 H new ATOM 0 HB3 ASN A 76 18.805 -9.657 -5.984 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.777 -7.324 -9.203 1.00 0.00 H new ATOM 0 HD22 ASN A 76 20.848 -8.597 -8.609 1.00 0.00 H new ATOM 800 N PHE A 77 19.554 -9.555 -3.200 1.00 0.00 N ATOM 801 CA PHE A 77 19.610 -10.464 -2.063 1.00 0.00 C ATOM 802 C PHE A 77 18.225 -11.018 -1.750 1.00 0.00 C ATOM 803 O PHE A 77 17.205 -10.451 -2.167 1.00 0.00 O ATOM 804 CB PHE A 77 20.172 -9.736 -0.841 1.00 0.00 C ATOM 805 CG PHE A 77 19.282 -8.571 -0.491 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.216 -8.749 0.396 1.00 0.00 C ATOM 807 CD2 PHE A 77 19.527 -7.311 -1.049 1.00 0.00 C ATOM 808 CE1 PHE A 77 17.394 -7.666 0.727 1.00 0.00 C ATOM 809 CE2 PHE A 77 18.705 -6.228 -0.719 1.00 0.00 C ATOM 810 CZ PHE A 77 17.638 -6.405 0.170 1.00 0.00 C ATOM 0 H PHE A 77 18.668 -9.059 -3.300 1.00 0.00 H new ATOM 0 HA PHE A 77 20.266 -11.297 -2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 77 20.239 -10.421 0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.183 -9.385 -1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 77 18.027 -9.722 0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 77 20.351 -7.175 -1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 77 16.571 -7.803 1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.893 -5.256 -1.150 1.00 0.00 H new ATOM 0 HZ PHE A 77 17.004 -5.569 0.426 1.00 0.00 H new ATOM 820 N LYS A 78 18.193 -12.133 -1.027 1.00 0.00 N ATOM 821 CA LYS A 78 16.930 -12.769 -0.675 1.00 0.00 C ATOM 822 C LYS A 78 16.166 -11.918 0.331 1.00 0.00 C ATOM 823 O LYS A 78 16.578 -11.783 1.485 1.00 0.00 O ATOM 824 CB LYS A 78 17.200 -14.145 -0.064 1.00 0.00 C ATOM 825 CG LYS A 78 15.979 -15.049 -0.249 1.00 0.00 C ATOM 826 CD LYS A 78 15.911 -15.522 -1.705 1.00 0.00 C ATOM 827 CE LYS A 78 14.817 -16.580 -1.854 1.00 0.00 C ATOM 828 NZ LYS A 78 14.790 -17.065 -3.262 1.00 0.00 N ATOM 0 H LYS A 78 19.022 -12.612 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 78 16.331 -12.875 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 78 18.072 -14.597 -0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.429 -14.042 0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.043 -15.907 0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.069 -14.508 0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.705 -14.677 -2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.873 -15.935 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.004 -17.411 -1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.849 -16.159 -1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.047 -17.785 -3.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.592 -16.268 -3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.712 -17.481 -3.503 1.00 0.00 H new ATOM 842 N PHE A 79 15.048 -11.358 -0.111 1.00 0.00 N ATOM 843 CA PHE A 79 14.227 -10.525 0.756 1.00 0.00 C ATOM 844 C PHE A 79 13.712 -11.325 1.945 1.00 0.00 C ATOM 845 O PHE A 79 13.391 -10.763 2.985 1.00 0.00 O ATOM 846 CB PHE A 79 13.053 -9.956 -0.034 1.00 0.00 C ATOM 847 CG PHE A 79 12.154 -11.085 -0.474 1.00 0.00 C ATOM 848 CD1 PHE A 79 11.074 -11.483 0.321 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.407 -11.733 -1.686 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.247 -12.533 -0.101 1.00 0.00 C ATOM 851 CE2 PHE A 79 11.586 -12.779 -2.109 1.00 0.00 C ATOM 852 CZ PHE A 79 10.503 -13.181 -1.317 1.00 0.00 C ATOM 0 H PHE A 79 14.690 -11.465 -1.060 1.00 0.00 H new ATOM 0 HA PHE A 79 14.841 -9.707 1.132 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.495 -9.250 0.580 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.416 -9.406 -0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 79 10.878 -10.982 1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 79 13.241 -11.423 -2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.413 -12.843 0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.785 -13.278 -3.046 1.00 0.00 H new ATOM 0 HZ PHE A 79 9.866 -13.990 -1.643 1.00 0.00 H new ATOM 862 N ILE A 80 13.626 -12.637 1.790 1.00 0.00 N ATOM 863 CA ILE A 80 13.140 -13.487 2.871 1.00 0.00 C ATOM 864 C ILE A 80 14.076 -13.406 4.075 1.00 0.00 C ATOM 865 O ILE A 80 13.633 -13.394 5.223 1.00 0.00 O ATOM 866 CB ILE A 80 13.047 -14.931 2.386 1.00 0.00 C ATOM 867 CG1 ILE A 80 11.951 -15.035 1.325 1.00 0.00 C ATOM 868 CG2 ILE A 80 12.701 -15.842 3.564 1.00 0.00 C ATOM 869 CD1 ILE A 80 12.025 -16.402 0.643 1.00 0.00 C ATOM 0 H ILE A 80 13.883 -13.134 0.937 1.00 0.00 H new ATOM 0 HA ILE A 80 12.152 -13.140 3.173 1.00 0.00 H new ATOM 0 HB ILE A 80 14.002 -15.237 1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.972 -14.899 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 80 12.069 -14.242 0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.634 -16.874 3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 80 13.477 -15.763 4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 80 11.744 -15.539 3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.243 -16.474 -0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 80 13.000 -16.520 0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.885 -17.187 1.386 1.00 0.00 H new ATOM 881 N TYR A 81 15.373 -13.360 3.793 1.00 0.00 N ATOM 882 CA TYR A 81 16.382 -13.290 4.850 1.00 0.00 C ATOM 883 C TYR A 81 16.606 -11.843 5.299 1.00 0.00 C ATOM 884 O TYR A 81 17.449 -11.577 6.157 1.00 0.00 O ATOM 885 CB TYR A 81 17.699 -13.884 4.339 1.00 0.00 C ATOM 886 CG TYR A 81 17.475 -15.312 3.888 1.00 0.00 C ATOM 887 CD1 TYR A 81 18.150 -15.801 2.763 1.00 0.00 C ATOM 888 CD2 TYR A 81 16.589 -16.144 4.585 1.00 0.00 C ATOM 889 CE1 TYR A 81 17.939 -17.118 2.337 1.00 0.00 C ATOM 890 CE2 TYR A 81 16.379 -17.460 4.160 1.00 0.00 C ATOM 891 CZ TYR A 81 17.053 -17.947 3.035 1.00 0.00 C ATOM 892 OH TYR A 81 16.843 -19.245 2.611 1.00 0.00 O ATOM 0 H TYR A 81 15.752 -13.370 2.846 1.00 0.00 H new ATOM 0 HA TYR A 81 16.027 -13.862 5.707 1.00 0.00 H new ATOM 0 HB2 TYR A 81 18.081 -13.287 3.511 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.452 -13.855 5.127 1.00 0.00 H new ATOM 0 HD1 TYR A 81 18.834 -15.162 2.224 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.067 -15.768 5.453 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.460 -17.495 1.469 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.697 -18.100 4.700 1.00 0.00 H new ATOM 0 HH TYR A 81 16.200 -19.684 3.207 1.00 0.00 H new ATOM 902 N VAL A 82 15.848 -10.913 4.719 1.00 0.00 N ATOM 903 CA VAL A 82 15.974 -9.505 5.070 1.00 0.00 C ATOM 904 C VAL A 82 14.620 -8.923 5.475 1.00 0.00 C ATOM 905 O VAL A 82 13.604 -9.183 4.837 1.00 0.00 O ATOM 906 CB VAL A 82 16.546 -8.730 3.883 1.00 0.00 C ATOM 907 CG1 VAL A 82 16.562 -7.237 4.204 1.00 0.00 C ATOM 908 CG2 VAL A 82 17.976 -9.212 3.608 1.00 0.00 C ATOM 0 H VAL A 82 15.144 -11.111 4.008 1.00 0.00 H new ATOM 0 HA VAL A 82 16.650 -9.416 5.920 1.00 0.00 H new ATOM 0 HB VAL A 82 15.926 -8.900 3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 82 16.970 -6.687 3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 82 15.546 -6.897 4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 82 17.182 -7.061 5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 82 18.389 -8.662 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 82 18.594 -9.040 4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 82 17.963 -10.277 3.377 1.00 0.00 H new ATOM 918 N ASP A 83 14.612 -8.132 6.540 1.00 0.00 N ATOM 919 CA ASP A 83 13.371 -7.525 7.015 1.00 0.00 C ATOM 920 C ASP A 83 13.517 -6.014 7.093 1.00 0.00 C ATOM 921 O ASP A 83 14.602 -5.509 7.356 1.00 0.00 O ATOM 922 CB ASP A 83 13.013 -8.071 8.398 1.00 0.00 C ATOM 923 CG ASP A 83 14.247 -8.082 9.293 1.00 0.00 C ATOM 924 OD1 ASP A 83 15.151 -8.851 9.012 1.00 0.00 O ATOM 925 OD2 ASP A 83 14.269 -7.319 10.242 1.00 0.00 O ATOM 0 H ASP A 83 15.440 -7.896 7.088 1.00 0.00 H new ATOM 0 HA ASP A 83 12.577 -7.772 6.311 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.233 -7.458 8.849 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.612 -9.080 8.306 1.00 0.00 H new ATOM 930 N VAL A 84 12.423 -5.298 6.869 1.00 0.00 N ATOM 931 CA VAL A 84 12.464 -3.842 6.921 1.00 0.00 C ATOM 932 C VAL A 84 12.158 -3.347 8.331 1.00 0.00 C ATOM 933 O VAL A 84 11.279 -3.877 9.011 1.00 0.00 O ATOM 934 CB VAL A 84 11.453 -3.249 5.935 1.00 0.00 C ATOM 935 CG1 VAL A 84 11.710 -3.806 4.534 1.00 0.00 C ATOM 936 CG2 VAL A 84 10.032 -3.610 6.370 1.00 0.00 C ATOM 0 H VAL A 84 11.508 -5.694 6.652 1.00 0.00 H new ATOM 0 HA VAL A 84 13.467 -3.518 6.645 1.00 0.00 H new ATOM 0 HB VAL A 84 11.564 -2.165 5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.989 -3.382 3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.719 -3.543 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.605 -4.891 4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.317 -3.186 5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.922 -4.694 6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.843 -3.208 7.365 1.00 0.00 H new ATOM 946 N ILE A 85 12.892 -2.325 8.761 1.00 0.00 N ATOM 947 CA ILE A 85 12.694 -1.760 10.092 1.00 0.00 C ATOM 948 C ILE A 85 12.331 -0.280 10.004 1.00 0.00 C ATOM 949 O ILE A 85 12.746 0.421 9.082 1.00 0.00 O ATOM 950 CB ILE A 85 13.968 -1.919 10.932 1.00 0.00 C ATOM 951 CG1 ILE A 85 15.146 -1.256 10.215 1.00 0.00 C ATOM 952 CG2 ILE A 85 14.281 -3.400 11.128 1.00 0.00 C ATOM 953 CD1 ILE A 85 16.340 -1.154 11.168 1.00 0.00 C ATOM 0 H ILE A 85 13.624 -1.874 8.212 1.00 0.00 H new ATOM 0 HA ILE A 85 11.874 -2.299 10.567 1.00 0.00 H new ATOM 0 HB ILE A 85 13.810 -1.446 11.901 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.420 -1.836 9.334 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.860 -0.263 9.867 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.187 -3.505 11.725 1.00 0.00 H new ATOM 0 HG22 ILE A 85 13.450 -3.883 11.642 1.00 0.00 H new ATOM 0 HG23 ILE A 85 14.430 -3.872 10.157 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.177 -0.681 10.654 1.00 0.00 H new ATOM 0 HD12 ILE A 85 16.063 -0.556 12.036 1.00 0.00 H new ATOM 0 HD13 ILE A 85 16.632 -2.152 11.494 1.00 0.00 H new ATOM 965 N SER A 86 11.552 0.185 10.977 1.00 0.00 N ATOM 966 CA SER A 86 11.133 1.581 11.017 1.00 0.00 C ATOM 967 C SER A 86 12.124 2.418 11.820 1.00 0.00 C ATOM 968 O SER A 86 13.016 1.881 12.478 1.00 0.00 O ATOM 969 CB SER A 86 9.742 1.694 11.640 1.00 0.00 C ATOM 970 OG SER A 86 9.817 1.368 13.020 1.00 0.00 O ATOM 0 H SER A 86 11.199 -0.384 11.746 1.00 0.00 H new ATOM 0 HA SER A 86 11.103 1.959 9.995 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.356 2.706 11.514 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.049 1.023 11.133 1.00 0.00 H new ATOM 0 HG SER A 86 8.926 1.441 13.422 1.00 0.00 H new ATOM 976 N GLU A 87 11.958 3.735 11.765 1.00 0.00 N ATOM 977 CA GLU A 87 12.840 4.638 12.495 1.00 0.00 C ATOM 978 C GLU A 87 12.396 6.086 12.307 1.00 0.00 C ATOM 979 O GLU A 87 12.266 6.780 13.302 1.00 0.00 O ATOM 980 CB GLU A 87 14.280 4.476 12.009 1.00 0.00 C ATOM 981 CG GLU A 87 15.228 4.509 13.209 1.00 0.00 C ATOM 982 CD GLU A 87 15.092 3.221 14.015 1.00 0.00 C ATOM 983 OE1 GLU A 87 15.397 2.172 13.473 1.00 0.00 O ATOM 984 OE2 GLU A 87 14.684 3.303 15.162 1.00 0.00 O ATOM 0 H GLU A 87 11.226 4.199 11.226 1.00 0.00 H new ATOM 0 HA GLU A 87 12.788 4.387 13.554 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.390 3.535 11.470 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.532 5.274 11.311 1.00 0.00 H new ATOM 0 HG2 GLU A 87 16.256 4.628 12.868 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.000 5.368 13.840 1.00 0.00 H new